N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (3-bromophenyl)-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H15BrN4O3/c1-11-6-12(2)8-15(7-11)26-18-16(23(24)25)17(20-10-21-18)22-14-5-3-4-13(19)9-14/h3-10H,1-2H3,(H,20,21,22)